General Information of the Compound
| Compound ID |
CP0476734
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| Compound Name |
N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
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| Structure |
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| Formula |
C25H29N3O2S
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| Molecular Weight |
435.593
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| Canonical SMILES |
Oc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
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| InChI |
InChI=1S/C25H29N3O2S/c29-24-6-2-1-5-23(24)28-16-14-27(15-17-28)13-4-3-12-26-25(30)21-9-7-20(8-10-21)22-11-18-31-19-22/h1-2,5-11,18-19,29H,3-4,12-17H2,(H,26,30)
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| InChIKey |
PPNFHFXNWYTHCJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor